methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C13H18ClN3O3S/c1-7(2)5-9(12(19)20-3)16-11(18)10-8(14)6-15-13(17-10)21-4/h6-7,9H,5H2,1-4H3,(H,16,18)